Modified Becke-Johnson approach for governing half metallic ferromagnetism in Cr-doped GaP DMS compound

被引：0

作者：

Saini, Hardev S. ^{[1
]}

Singh, Mukhtiyar ^{[1
]}

Kashyap, Manish K. ^{[1
]}

机构：

[1] Kurukshetra Univ, Dept Phys, Kurukshetra 136119, Haryana, India

来源：

ADVANCES IN MATERIALS AND PROCESSING: CHALLENGES AND OPPORTUNITIES | 2012年 / 585卷

关键词：

Half-metallic ferromagnets; DFT; FPLAPW method; Dilute Magnetic Semiconductors;

D O I：

10.4028/www.scientific.net/AMR.585.265

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic and magnetic properties of Ga1-xCrxP Dilute Magnetic Semiconductor (DMS) compound at doping concentration, x = 0.125 has been calculated using full potential linearized augmented plane wave (FPLAPW) method. The exchange and correlation (XC) effects are taken into account by a semi local, orbital independent modified Becke-Johnson (mBJ) potential as coupled with Local Density Approximation (LDA). Our calculation shows that Cr induces the ferromagnetism in this compound and there is large half metallic (HM) gap appearing in the minority spin channel. We observed that mBJLDA potential enhances the HM gap by similar to 0.25 eV as compared to from its value in Generalized Gradient Approximation (GGA). The improved HM gap can be understood in terms of the mBJLDA-enhanced spin exchange splitting.

引用

页码：265 / 269

页数：5

共 29 条

[21] Half-metallic ferromagnetism of Cr-doped rutile TiO2:: A first-principles pseudopotential study
Gao, G. Y.
Yao, K. L.
Liu, Z. L.
Li, Y. L.
Jiang, J. L.
Li, Y. C.
PHYSICA B-CONDENSED MATTER, 2006, 382 (1-2) : 14 - 16
[22] An ab-initio study of the structural, electronic and magnetic properties of half-metallic ferromagnetism in Cr-doped BeSe and BeTe
Alay-e-Abbas, S. M.
Wong, Kin Mun
Noor, N. A.
Shaukat, A.
Lei, Yong
SOLID STATE SCIENCES, 2012, 14 (10) : 1525 - 1535
[23] Understanding ferromagnetism and optical absorption in 3d transition metal-doped cubic ZrO2 with the modified Becke-Johnson exchange-correlation functional
El Kenz, A. (elkenz@fsr.ac.ma), 1600, American Institute of Physics Inc. (115):
[24] Understanding ferromagnetism and optical absorption in 3d transition metal-doped cubic ZrO2 with the modified Becke-Johnson exchange-correlation functional
Boujnah, M.
Zaari, H.
Labrim, H.
Benyoussef, A.
El Kenz, A.
Mounkachi, O.
JOURNAL OF APPLIED PHYSICS, 2014, 115 (12)
[25] First-principle investigation of half-metallic ferromagnetism in octahedrally bonded Cr-doped rock-salt SrS, SrSe, and SrTe
Doumi, Bendouma
Mokaddem, Allel
Temimi, Lahouari
Beldjoudi, Nadir
Elkeurti, Mohammed
Dahmane, Fethallah
Sayede, Adlane
Tadjer, Abdelkader
Ishak-Boushaki, Mustapha
EUROPEAN PHYSICAL JOURNAL B, 2015, 88 (04):
[26] First-principle investigation of half-metallic ferromagnetism in octahedrally bonded Cr-doped rock-salt SrS, SrSe, and SrTe
Bendouma Doumi
Allel Mokaddem
Lahouari Temimi
Nadir Beldjoudi
Mohammed Elkeurti
Fethallah Dahmane
Adlane Sayede
Abdelkader Tadjer
Mustapha Ishak-Boushaki
The European Physical Journal B, 2015, 88
[27] First-principles calculations for studying effect of Tellurium (Te) doping on electronic properties, half-metallic ferromagnetism and "Curie temperature of V-doped AlSb DMS compound
Maftouh, A.
Rami, R.
Drissi, L. B.
El Fatni, O.
Laamara, R. Ahl
SOLID STATE COMMUNICATIONS, 2021, 339
[28] Comparisons of half-metallic results of Al0.75Co0.25Sb diluted magnetic semiconductor with generalized gradient approximation (GGA) and Tran Blaha modified Becke-Johnson (TB_mBJ) potential methods
Ozdemir, Evren G.
Merdan, Ziya
PHYSICA B-CONDENSED MATTER, 2020, 581
[29] Electronic and optical modeling of solar cell compound CuXY2 (X = In, Ga, Al; Y = S, Se, Te): first-principles study via Tran-Blaha-modified Becke-Johnson exchange potential approach
Ghosh, Anima
Thangavel, R.
Rajagopalan, M.
JOURNAL OF MATERIALS SCIENCE, 2015, 50 (04) : 1710 - 1717

← 1 2 3 →